[phenixbb] reference model restrain error

[Stephan Barden]

Dear all,

I'm facing a problem with a fresh (yesterday) installation of phenix 
1.7.2-869 refining a structure with 6 molecules per ASU at 3.25 A and 
using a different reference structure with 1 mol/ASU at higher 
resolution. I wrote an additional parameter file to assign the reference 
model to each of the six molecules, which worked well with an older 
version of phenix. After the upgrade neither taking the additional 
parameter file, nor auto alignment worked for me. The error comming up 
is always:


RuntimeError : Duplicate sequence number and insertion code.
Traceback:
   File "/sw/phenix-1.7.2-869/cctbx_project/libtbx/thread_utils.py", 
line 229, in run
     return_value = self._target(self._args, self._kwargs, self._c)

   File "/sw/phenix-1.7.2-869/cctbx_project/libtbx/runtime_utils.py", 
line 72, in __call__
     result = self.target()

   File "/sw/phenix-1.7.2-869/phenix/phenix/refinement/runtime.py", line 
67, in __call__
     call_back_handler=callback)

   File "/sw/phenix-1.7.2-869/phenix/phenix/refinement/command_line.py", 
line 75, in run
     overwrite = command_line_interpreter.command_line.options.overwrite)

   File "/sw/phenix-1.7.2-869/phenix/phenix/refinement/driver.py", line 
209, in __init__
     log=self.log)

   File 
"/sw/phenix-1.7.2-869/cctbx_project/mmtbx/torsion_restraints/reference_model.py", 
line 145, in __init__
     self.get_reference_dihedral_proxies()

   File 
"/sw/phenix-1.7.2-869/cctbx_project/mmtbx/torsion_restraints/reference_model.py", 
line 611, in get_reference_dihedral_proxies
     log=self.log)

   File 
"/sw/phenix-1.7.2-869/cctbx_project/mmtbx/torsion_restraints/reference_model.py", 
line 398, in process_reference_groups
     raise e

Has anyone observed a similar problem? Are there any suggestions?

Thanks,
StephanB.